4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol

• ChemBase编号: 93462
• 分子式: C10H7F15O
• 平均质量: 428.138028
• 单一同位素质量: 428.02573814
• SMILES: OCCCC(C(F)(F)C(F)(F)C(C(F)(C(F)(F)C(F)(F)F)F)(F)F)(F)F
• Canonical SMILES: OCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H7F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2
• InChIKey: LWCLGUDCFDTQBF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
• 别名: 1H,1H,2H,2H,3H,3H-Perfluorodecan-1-ol 97%

登记号

• CAS号: 25600-66-2
• MDL号: MFCD03788334
• PubChem SID: 162080147
• PubChem CID: 2783377

理论计算性质

• Acid pKa: 15.963853
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.9889965
• LogD (pH = 7.4): 4.9889965
• Log P: 4.9889965
• 摩尔折射率: 51.3398 cm^3
• 极化性: 19.66445 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 28-29°C
• 沸点: 106-107°C/9mm

安全信息

• 保存注意事项: Irritant